Information card for entry 7107920

Structure parameters

• Formula: C44 H56 Si2
• Calculated formula: C44 H56 Si2
• Title of publication: Unexpected formation of a cyclic vinylene sulfate in the synthesis of ethynyl-substituted acenes
• Authors of publication: Brandon Djukic; Dmitrii Perepichka
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6651
• a: 14.5106 ± 0.0006 Å
• b: 18.8272 ± 0.0007 Å
• c: 29.1708 ± 0.0012 Å
• α: 90°
• β: 100.686 ± 0.002°
• γ: 90°
• Cell volume: 7831.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.274
• Weighted residual factors for all reflections included in the refinement: 0.2912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No